SCHEMBL219618

SCHEMBL219618

O=C1NCN(c2ccccc2)C12CCNCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 1.00
OPRL1 P41146 7/20 0.62
OPRM1 P35372 6/20 0.62
OPRD1 P41143 5/20 0.62
OPRK1 P41145 5/20 0.62
SLC6A9 P48067 1/20 0.59
SLC18A3 Q16572 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7587764 1.00 HSD17B10 (1.00) HSD17B10OPRL1OPRM1OPRD1OPRK1
Ammonia Solution, Strong SCHEMBL1764035 0.98 HSD17B10 (0.97) HSD17B10OPRL1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6160546 0.98 HSD17B10 (0.97) HSD17B10OPRL1OPRM1OPRD1OPRK1
Ammonia Solution, Strong SCHEMBL8729935 0.86 HSD17B10 (0.74) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL2539061 0.85 OPRM1 (0.77) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL8729938 0.85 HSD17B10 (0.72) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL11880961 0.84 HSD17B10 (0.73) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL11593274 0.84 HSD17B10 (0.73) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL318959 0.84 HSD17B10 (0.73) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL3068674 0.84 HSD17B10 (0.73) HSD17B10OPRL1OPRM1OPRD1OPRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 645 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 EP claimed
EP-1558595-B1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA NV (BE) 2009-11-25 EP claimed
US-20080287478-A1 Nociceptin Analogues and Uses Thereof ZEALAND PHARMA A/S (DK) 2008-11-20 US claimed
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES APODACA RICHARD L 2008-03-06 US claimed
US-20070072837-A1 Phenylalkynes APODACA RICHARD 2007-03-29 US claimed
WO-2007019987-A1 SUBSTITUTED 8-(3-AMINOPROPYL)-1-PHENYL-1,3,8-TRIAZA-SPIRO[4,5]DECAN-4-ON-DERIVATIVES FOR USE IN PAIN THERAPY Grünenthal GmbH (DE) 2007-02-22 WO claimed
EP-1451167-B1 PHENYLALKYNES ORTHO MCNEIL PHARM INC (US) 2006-03-08 EP claimed
EP-1628978-A2 TRIAZA-SPIRO COMPOUNDS AS NOCICEPTIN ANALOGUES AND USES THEREOF Zealand Pharma A/S (DK) 2006-03-01 EP claimed
EP-1567494-A1 METHODS FOR PREPARING PHENYLALKYNE DERIVATIVES Ortho-McNeil Pharmaceutical, Inc. (US) 2005-08-31 EP claimed
EP-1558595-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-03 EP claimed
WO-2004037801-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO claimed
WO-2004037257-A1 PHENYLPIPERIDINES AND PHENYLPYRROLIDINES AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO claimed
US-20040002604-A1 Phenylalkynes ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-01-01 US claimed
US-20030144323-A1 For treatment of disorders and conditions mediated by the histamine receptor; allergies, sleep disorders, dementia ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-31 US claimed
WO-2003050099-A1 PHENYLALKYNES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO claimed
US-20030040479-A1 Rotational intrathecal analgesia method and device OMEROS CORPORATION 2003-02-27 US claimed
US-20030040486-A1 Rotational intrathecal analgesia REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-02-27 US claimed
WO-2001039723-A2 TRIAZOSPIRO COMPOUNDS HAVING NOCICEPTIN RECEPTOR AFFINITY EURO-CELTIQUE, S.A. (LU) 2001-06-07 WO claimed
EP-0359790-B1 1,4-BENZOXAZINE AND 1,4-BENZOTHIAZINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP claimed
US-4020072-A PSYCHOTROPIC E. R. SQUIBB & SONS, INC. (US) 1977-04-26 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080287478-A1 Nociceptin Analogues and Uses Thereof OPRL1, NPSR1, OPRK1 HSD17B10 3616/4885OPRL1 1/4885OPRM1 14/4885
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES HRH2, HNMT, HRH3 HSD17B10 3362/4885OPRL1 1047/4885OPRM1 3326/4885
US-20070072837-A1 Phenylalkynes HRH2, HRH3, HNMT HSD17B10 919/4885OPRL1 49/4885OPRM1 273/4885
US-20030144323-A1 For treatment of disorders and conditions mediated by the histamine receptor; allergies, sleep disorders, dementia HRH3, HRH2, HRH4 HSD17B10 2122/4885OPRL1 82/4885OPRM1 285/4885
US-20040002604-A1 Phenylalkynes HRH2, HRH3, HNMT HSD17B10 919/4885OPRL1 49/4885OPRM1 273/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.